Supplementary material from "Non-adiabatic effects in the H+3 spectrum"
Posted on 2019-06-18 - 14:21
The effect of non-adiabatic coupling on the computed rovibrational energy levels amounts to about 2 cm−1 for H+3 and must be included in high-accuracy calculations. Different strategies to obtain the corresponding energy shifts are reviewed in the article. A promising way is to introduce effective vibrational reduced masses that depend on the nuclear configuration. A new empirical method which uses the stockholder atoms-in-molecules approach to this effect is presented and applied to H+3. Furthermore, a highly accurate potential energy surface for the D+3 isotopologue, which includes relativistic and leading QED terms, is constructed and used to analyse the observed rovibrational frequencies for this molecule. Accurate band origins are obtained that improve existing data.This article is part of the discussion meeting issue ‘Advances in hydrogen molecular ions: H+3, H+5 and beyond’.
CITE THIS COLLECTION
DataCite
3 Biotech
3D Printing in Medicine
3D Research
3D-Printed Materials and Systems
4OR
AAPG Bulletin
AAPS Open
AAPS PharmSciTech
Abhandlungen aus dem Mathematischen Seminar der Universität Hamburg
ABI Technik (German)
Academic Medicine
Academic Pediatrics
Academic Psychiatry
Academic Questions
Academy of Management Discoveries
Academy of Management Journal
Academy of Management Learning and Education
Academy of Management Perspectives
Academy of Management Proceedings
Academy of Management Review
Amaral, Paulo H. R.; Stanke, Monika; Adamowicz, Ludwik; Diniz, Leonardo G.; Mohallem, José
R.; Alijah, Alexander (2019). Supplementary material from "Non-adiabatic effects in the H+3 spectrum". The Royal Society. Collection. https://doi.org/10.6084/m9.figshare.c.4545917.v1
or
Select your citation style and then place your mouse over the citation text to select it.
SHARE
Usage metrics
Read the peer-reviewed publication
AUTHORS (6)
PA
Paulo H. R. Amaral
MS
Monika Stanke
LA
Ludwik Adamowicz
LD
Leonardo G. Diniz
JM
José
R. Mohallem
AA
Alexander Alijah